(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C17H29N5O2 — CID 95280712

IUPAC(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C17H29N5O2/c1-14(17(23)19-12-15-4-3-11-24-15)22-9-7-21(8-10-22)13-16-18-5-6-20(16)2/h5-6,14-15H,3-4,7-13H2,1-2H3,(H,19,23)/t14-,15+/m0/s1
InChIKeySFAWDDYSSSVNJP-LSDHHAIUSA-N
MW335.45 g/mol
LogP0.22
Rot. Bonds6

About (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 95280712) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID95280712
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C17H29N5O2/c1-14(17(23)19-12-15-4-3-11-24-15)22-9-7-21(8-10-22)13-16-18-5-6-20(16)2/h5-6,14-15H,3-4,7-13H2,1-2H3,(H,19,23)/t14-,15+/m0/s1
InChIKeySFAWDDYSSSVNJP-LSDHHAIUSA-N
XLogP0.22
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 42934909
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95337939
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 136525948
2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90561775
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95758684
(2S)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95284949
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 95280712) is (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2nccn2C)CC1.
What is the InChIKey of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is SFAWDDYSSSVNJP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-14(17(23)19-12-15-4-3-11-24-15)22-9-7-21(8-10-22)13-16-18-5-6-20(16)2/h5-6,14-15H,3-4,7-13H2,1-2H3,(H,19,23)/t14-,15+/m0/s1.
What are the key properties of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95280712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).