3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide

C21H24N6O2 — CID 97261045

IUPAC3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C21H24N6O2/c1-13(20(29)26-21-23-7-2-8-24-21)27-9-5-14(6-10-27)17-12-25-18-4-3-15(19(22)28)11-16(17)18/h2-4,7-8,11-14,25H,5-6,9-10H2,1H3,(H2,22,28)(H,23,24,26,29)/t13-/m0/s1
InChIKeyGUUIRTUXDLKNRE-ZDUSSCGKSA-N
MW392.46 g/mol
LogP2.26
Rot. Bonds5

About 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide

3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide (PubChem CID 97261045) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide
PubChem CID97261045
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C21H24N6O2/c1-13(20(29)26-21-23-7-2-8-24-21)27-9-5-14(6-10-27)17-12-25-18-4-3-15(19(22)28)11-16(17)18/h2-4,7-8,11-14,25H,5-6,9-10H2,1H3,(H2,22,28)(H,23,24,26,29)/t13-/m0/s1
InChIKeyGUUIRTUXDLKNRE-ZDUSSCGKSA-N
XLogP2.26
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 25492854
3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 166214351
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41379703
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
(2S)-2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95330628
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 41414932
3-[1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)piperidin-4-yl]-1H-indole-5-carboxamide
CID 167986441
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide (CID 97261045) is 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide is C[C@@H](C(=O)Nc1ncccn1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1.
What is the InChIKey of 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
The InChIKey is GUUIRTUXDLKNRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(20(29)26-21-23-7-2-8-24-21)27-9-5-14(6-10-27)17-12-25-18-4-3-15(19(22)28)11-16(17)18/h2-4,7-8,11-14,25H,5-6,9-10H2,1H3,(H2,22,28)(H,23,24,26,29)/t13-/m0/s1.
What are the key properties of 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 97261045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).