(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

C24H41N5O4 — CID 92986615

IUPAC(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESCCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@@H](C(=O)N(CC)CC)C3)co2)CC1
InChIInChI=1S/C24H41N5O4/c1-4-8-20(30)16-26-11-13-27(14-12-26)17-22-25-21(18-33-22)24(32)29-10-7-9-19(15-29)23(31)28(5-2)6-3/h18-20,30H,4-17H2,1-3H3/t19-,20+/m1/s1
InChIKeyRTXAPUBSBYXNDO-UXHICEINSA-N
MW463.62 g/mol
LogP1.67
Rot. Bonds10

About (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 92986615) has the molecular formula C24H41N5O4 and a molecular weight of 463.62 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID92986615
Molecular FormulaC24H41N5O4
Molecular Weight463.62 g/mol
Exact Mass463.32
IUPAC Name(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESCCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@@H](C(=O)N(CC)CC)C3)co2)CC1
InChIInChI=1S/C24H41N5O4/c1-4-8-20(30)16-26-11-13-27(14-12-26)17-22-25-21(18-33-22)24(32)29-10-7-9-19(15-29)23(31)28(5-2)6-3/h18-20,30H,4-17H2,1-3H3/t19-,20+/m1/s1
InChIKeyRTXAPUBSBYXNDO-UXHICEINSA-N
XLogP1.67
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 42856016
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986721
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856036
N-(4-chlorophenyl)-2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986495
N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986405
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
1-[(3S)-1-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidin-3-yl]ethanone
CID 28954968
1-[(3R)-1-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidin-3-yl]ethanone
CID 28954966
(4-cyclopentylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051493
(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986750
(4-benzylpiperidin-1-yl)-[2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42855971

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (CID 92986615) is (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@@H](C(=O)N(CC)CC)C3)co2)CC1.
What is the InChIKey of (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is RTXAPUBSBYXNDO-UXHICEINSA-N. The full InChI is InChI=1S/C24H41N5O4/c1-4-8-20(30)16-26-11-13-27(14-12-26)17-22-25-21(18-33-22)24(32)29-10-7-9-19(15-29)23(31)28(5-2)6-3/h18-20,30H,4-17H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 463.62 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92986615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).