4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide

C21H32N4O3 — CID 119872921

IUPAC4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)CC(=O)Nc2cccc(N3CCCC3)c2)CCNCC1
InChIInChI=1S/C21H32N4O3/c1-16(23-20(27)21(28-2)8-10-22-11-9-21)14-19(26)24-17-6-5-7-18(15-17)25-12-3-4-13-25/h5-7,15-16,22H,3-4,8-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLBMQRVCZTMKQJS-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.89
Rot. Bonds7

About 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide

4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide (PubChem CID 119872921) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
PubChem CID119872921
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)CC(=O)Nc2cccc(N3CCCC3)c2)CCNCC1
InChIInChI=1S/C21H32N4O3/c1-16(23-20(27)21(28-2)8-10-22-11-9-21)14-19(26)24-17-6-5-7-18(15-17)25-12-3-4-13-25/h5-7,15-16,22H,3-4,8-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLBMQRVCZTMKQJS-UHFFFAOYSA-N
XLogP1.89
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120645940
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888
4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107334
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide
CID 51133364
3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107312
5-amino-2-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide;dihydrochloride
CID 120645944
3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107329
(2S,5R)-5-(aminomethyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]oxolane-2-carboxamide
CID 120799612
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide (CID 119872921) is 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide is COC1(C(=O)NC(C)CC(=O)Nc2cccc(N3CCCC3)c2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide?
The InChIKey is LBMQRVCZTMKQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-16(23-20(27)21(28-2)8-10-22-11-9-21)14-19(26)24-17-6-5-7-18(15-17)25-12-3-4-13-25/h5-7,15-16,22H,3-4,8-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide?
4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119872921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).