1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

C25H37N3O3 — CID 25280743

IUPAC1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc2c1OCC(CN1CCC(N3CCC(C(=O)NC(C)C)CC3)CC1)=C2
InChIInChI=1S/C25H37N3O3/c1-18(2)26-25(29)20-7-13-28(14-8-20)22-9-11-27(12-10-22)16-19-15-21-5-4-6-23(30-3)24(21)31-17-19/h4-6,15,18,20,22H,7-14,16-17H2,1-3H3,(H,26,29)
InChIKeyUSURSNFUOVXZJU-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.17
Rot. Bonds6

About 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 25280743) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID25280743
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc2c1OCC(CN1CCC(N3CCC(C(=O)NC(C)C)CC3)CC1)=C2
InChIInChI=1S/C25H37N3O3/c1-18(2)26-25(29)20-7-13-28(14-8-20)22-9-11-27(12-10-22)16-19-15-21-5-4-6-23(30-3)24(21)31-17-19/h4-6,15,18,20,22H,7-14,16-17H2,1-3H3,(H,26,29)
InChIKeyUSURSNFUOVXZJU-UHFFFAOYSA-N
XLogP3.17
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

(2R)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95219403
methyl 5-[(8-methoxy-2H-chromen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50979082
1-[(2,6-dichlorophenyl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100621527
1-(2H-chromen-3-ylmethyl)-4-pyrrolidin-1-ylazepane
CID 136519669
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
1-[(8-methoxy-2H-chromen-3-yl)methyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70705760
oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 126469036
[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119434852
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
11-[(8-methoxy-2H-chromen-3-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171153309
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 28955653
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42114058

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 25280743) is 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is COc1cccc2c1OCC(CN1CCC(N3CCC(C(=O)NC(C)C)CC3)CC1)=C2.
What is the InChIKey of 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is USURSNFUOVXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-18(2)26-25(29)20-7-13-28(14-8-20)22-9-11-27(12-10-22)16-19-15-21-5-4-6-23(30-3)24(21)31-17-19/h4-6,15,18,20,22H,7-14,16-17H2,1-3H3,(H,26,29).
What are the key properties of 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 25280743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).