N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C16H25ClN4O2 — CID 119701454

IUPACN-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(N)=O)cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11(12-6-8-18-9-7-12)10-15(21)19-13-2-4-14(5-3-13)20-16(17)22;/h2-5,11-12,18H,6-10H2,1H3,(H,19,21)(H3,17,20,22);1H
InChIKeyMCTVCDNZDOCPHH-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.56
Rot. Bonds5

About N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119701454) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119701454
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(N)=O)cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11(12-6-8-18-9-7-12)10-15(21)19-13-2-4-14(5-3-13)20-16(17)22;/h2-5,11-12,18H,6-10H2,1H3,(H,19,21)(H3,17,20,22);1H
InChIKeyMCTVCDNZDOCPHH-UHFFFAOYSA-N
XLogP2.56
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119701454) is N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc(NC(N)=O)cc1)C1CCNCC1.Cl.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is MCTVCDNZDOCPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-11(12-6-8-18-9-7-12)10-15(21)19-13-2-4-14(5-3-13)20-16(17)22;/h2-5,11-12,18H,6-10H2,1H3,(H,19,21)(H3,17,20,22);1H.
What are the key properties of N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119701454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).