(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C19H32N4O2 — CID 129446607

IUPAC(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1cc(C)n(C[C@@H]2CCCCN2[C@H](C)C(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C19H32N4O2/c1-14-11-15(2)23(21-14)13-17-7-4-5-9-22(17)16(3)19(24)20-12-18-8-6-10-25-18/h11,16-18H,4-10,12-13H2,1-3H3,(H,20,24)/t16-,17+,18+/m1/s1
InChIKeyNMVLEETVRXURFF-SQNIBIBYSA-N
MW348.49 g/mol
LogP2.04
Rot. Bonds6

About (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 129446607) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID129446607
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1cc(C)n(C[C@@H]2CCCCN2[C@H](C)C(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C19H32N4O2/c1-14-11-15(2)23(21-14)13-17-7-4-5-9-22(17)16(3)19(24)20-12-18-8-6-10-25-18/h11,16-18H,4-10,12-13H2,1-3H3,(H,20,24)/t16-,17+,18+/m1/s1
InChIKeyNMVLEETVRXURFF-SQNIBIBYSA-N
XLogP2.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95342782
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97435362
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95350614
(2S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95602974
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 129446607) is (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is Cc1cc(C)n(C[C@@H]2CCCCN2[C@H](C)C(=O)NC[C@@H]2CCCO2)n1.
What is the InChIKey of (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is NMVLEETVRXURFF-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-11-15(2)23(21-14)13-17-7-4-5-9-22(17)16(3)19(24)20-12-18-8-6-10-25-18/h11,16-18H,4-10,12-13H2,1-3H3,(H,20,24)/t16-,17+,18+/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 129446607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).