N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide

C20H29N3O2 — CID 42927379

IUPACN-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-15-5-7-18(8-6-15)21-19(24)16(2)22-13-9-17(10-14-22)20(25)23-11-3-4-12-23/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyRWPYGXUGNLFNBL-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.66
Rot. Bonds4

About N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide

N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide (PubChem CID 42927379) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
PubChem CID42927379
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-15-5-7-18(8-6-15)21-19(24)16(2)22-13-9-17(10-14-22)20(25)23-11-3-4-12-23/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyRWPYGXUGNLFNBL-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 42891150
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 46667378
N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832940
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42996473
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide (CID 42927379) is N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The InChIKey is RWPYGXUGNLFNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-5-7-18(8-6-15)21-19(24)16(2)22-13-9-17(10-14-22)20(25)23-11-3-4-12-23/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide has a molecular weight of 343.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 42927379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).