N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide

C21H27N3O3 — CID 72935785

IUPACN-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCC2CCCN(C(=O)c3cc[nH]c3)C2)c1
InChIInChI=1S/C21H27N3O3/c1-27-19-6-2-4-17(12-19)13-23-20(25)8-7-16-5-3-11-24(15-16)21(26)18-9-10-22-14-18/h2,4,6,9-10,12,14,16,22H,3,5,7-8,11,13,15H2,1H3,(H,23,25)
InChIKeyCXTUPGXHWQBSEZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.97
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 72935785) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID72935785
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCC2CCCN(C(=O)c3cc[nH]c3)C2)c1
InChIInChI=1S/C21H27N3O3/c1-27-19-6-2-4-17(12-19)13-23-20(25)8-7-16-5-3-11-24(15-16)21(26)18-9-10-22-14-18/h2,4,6,9-10,12,14,16,22H,3,5,7-8,11,13,15H2,1H3,(H,23,25)
InChIKeyCXTUPGXHWQBSEZ-UHFFFAOYSA-N
XLogP2.97
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 42515547
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
CID 45198010
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 26330387
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
CID 42566889
3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 26412386
N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45221235
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(3-ethynylbenzoyl)piperidin-3-yl]propanamide
CID 45188774

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide (CID 72935785) is N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CCC2CCCN(C(=O)c3cc[nH]c3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is CXTUPGXHWQBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-27-19-6-2-4-17(12-19)13-23-20(25)8-7-16-5-3-11-24(15-16)21(26)18-9-10-22-14-18/h2,4,6,9-10,12,14,16,22H,3,5,7-8,11,13,15H2,1H3,(H,23,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72935785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).