N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide

C29H36N4O2 — CID 154842575

IUPACN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NC(c2ccccc2)c2ccc3c(c2)CCCO3)C(c2cnn(C)c2)C1
InChIInChI=1S/C29H36N4O2/c1-20(2)33-14-13-25(26(19-33)24-17-30-32(3)18-24)29(34)31-28(21-8-5-4-6-9-21)23-11-12-27-22(16-23)10-7-15-35-27/h4-6,8-9,11-12,16-18,20,25-26,28H,7,10,13-15,19H2,1-3H3,(H,31,34)
InChIKeyKUIPOBDMMFKVFQ-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.46
Rot. Bonds6

About N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 154842575) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID154842575
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NC(c2ccccc2)c2ccc3c(c2)CCCO3)C(c2cnn(C)c2)C1
InChIInChI=1S/C29H36N4O2/c1-20(2)33-14-13-25(26(19-33)24-17-30-32(3)18-24)29(34)31-28(21-8-5-4-6-9-21)23-11-12-27-22(16-23)10-7-15-35-27/h4-6,8-9,11-12,16-18,20,25-26,28H,7,10,13-15,19H2,1-3H3,(H,31,34)
InChIKeyKUIPOBDMMFKVFQ-UHFFFAOYSA-N
XLogP4.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320930
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
(3R,4S)-N-benzhydryl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917707
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119779081
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119320936
(3R,4S)-N-(3,4-dihydro-2H-chromen-6-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120930221
(3R,4S)-N-[(4-chlorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919329
cis-(1S,2R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95238057
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99701816

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide (CID 154842575) is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)NC(c2ccccc2)c2ccc3c(c2)CCCO3)C(c2cnn(C)c2)C1.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is KUIPOBDMMFKVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-20(2)33-14-13-25(26(19-33)24-17-30-32(3)18-24)29(34)31-28(21-8-5-4-6-9-21)23-11-12-27-22(16-23)10-7-15-35-27/h4-6,8-9,11-12,16-18,20,25-26,28H,7,10,13-15,19H2,1-3H3,(H,31,34).
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide?
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 154842575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).