N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide

C21H30ClN3O3 — CID 112838502

IUPACN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
SMILESCC(C)CCOC1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H30ClN3O3/c1-14(2)9-12-28-17-7-10-25(11-8-17)21(27)24-16-5-6-19(22)18(13-16)20(26)23-15-3-4-15/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUQXOGQBWIGRXSR-UHFFFAOYSA-N
MW407.94 g/mol
LogP4.29
Rot. Bonds7

About N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide

N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide (PubChem CID 112838502) has the molecular formula C21H30ClN3O3 and a molecular weight of 407.94 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
PubChem CID112838502
Molecular FormulaC21H30ClN3O3
Molecular Weight407.94 g/mol
Exact Mass407.20
IUPAC NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
SMILESCC(C)CCOC1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H30ClN3O3/c1-14(2)9-12-28-17-7-10-25(11-8-17)21(27)24-16-5-6-19(22)18(13-16)20(26)23-15-3-4-15/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUQXOGQBWIGRXSR-UHFFFAOYSA-N
XLogP4.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838670
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 25478294
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3-fluoro-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 154847992
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 86793332
2-[methyl-[1-[[4-methyl-3-(3-methylbutoxy)phenyl]carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122085308
2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 71890363

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide (CID 112838502) is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide is CC(C)CCOC1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
The InChIKey is UQXOGQBWIGRXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O3/c1-14(2)9-12-28-17-7-10-25(11-8-17)21(27)24-16-5-6-19(22)18(13-16)20(26)23-15-3-4-15/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide has a molecular weight of 407.94 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide is sourced from PubChem (CID 112838502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).