N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide

C24H33N3O — CID 42517014

IUPACN-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESCC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCc3cccnc3)C2)cc1
InChIInChI=1S/C24H33N3O/c1-19(2)15-20-7-9-22(10-8-20)17-27-14-4-6-23(18-27)26-24(28)12-11-21-5-3-13-25-16-21/h3,5,7-10,13,16,19,23H,4,6,11-12,14-15,17-18H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyRKIUOYAFNMHFAR-HSZRJFAPSA-N
MW379.55 g/mol
LogP3.99
Rot. Bonds8

About N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide

N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide (PubChem CID 42517014) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
PubChem CID42517014
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESCC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCc3cccnc3)C2)cc1
InChIInChI=1S/C24H33N3O/c1-19(2)15-20-7-9-22(10-8-20)17-27-14-4-6-23(18-27)26-24(28)12-11-21-5-3-13-25-16-21/h3,5,7-10,13,16,19,23H,4,6,11-12,14-15,17-18H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyRKIUOYAFNMHFAR-HSZRJFAPSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pent-4-enamide
CID 45236984
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
CID 56918189
N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24633125
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45170113
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide (CID 42517014) is N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide is CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCc3cccnc3)C2)cc1.
What is the InChIKey of N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is RKIUOYAFNMHFAR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19(2)15-20-7-9-22(10-8-20)17-27-14-4-6-23(18-27)26-24(28)12-11-21-5-3-13-25-16-21/h3,5,7-10,13,16,19,23H,4,6,11-12,14-15,17-18H2,1-2H3,(H,26,28)/t23-/m1/s1.
What are the key properties of N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide?
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 379.55 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 42517014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).