(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide

C18H29N5O2 — CID 129446009

IUPAC(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C18H29N5O2/c1-12-7-8-13(2)23(12)14(3)17(24)19-15-6-5-10-22(18(15)25)16-9-11-21(4)20-16/h9,11-15H,5-8,10H2,1-4H3,(H,19,24)/t12-,13+,14-,15-/m0/s1
InChIKeyIKKRSSPJORZFHD-XGUBFFRZSA-N
MW347.46 g/mol
LogP1.29
Rot. Bonds4

About (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide

(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide (PubChem CID 129446009) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
PubChem CID129446009
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C18H29N5O2/c1-12-7-8-13(2)23(12)14(3)17(24)19-15-6-5-10-22(18(15)25)16-9-11-21(4)20-16/h9,11-15H,5-8,10H2,1-4H3,(H,19,24)/t12-,13+,14-,15-/m0/s1
InChIKeyIKKRSSPJORZFHD-XGUBFFRZSA-N
XLogP1.29
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 99812558
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 154861922
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124885479
3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97065767
1-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 102558555
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 99812552
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 99812553
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
CID 99698671
2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
CID 122137425
2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide
CID 167748291
5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
CID 97059329
4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 97080135

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide (CID 129446009) is (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide is C[C@@H]1CC[C@H](C)N1[C@@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O.
What is the InChIKey of (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
The InChIKey is IKKRSSPJORZFHD-XGUBFFRZSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12-7-8-13(2)23(12)14(3)17(24)19-15-6-5-10-22(18(15)25)16-9-11-21(4)20-16/h9,11-15H,5-8,10H2,1-4H3,(H,19,24)/t12-,13+,14-,15-/m0/s1.
What are the key properties of (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 129446009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).