N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C28H30ClN3O2 — CID 55884883

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H30ClN3O2/c29-25-19-22(11-12-26(25)31-15-4-1-5-16-31)30-27(33)21-13-17-32(18-14-21)28(34)24-10-6-8-20-7-2-3-9-23(20)24/h2-3,6-12,19,21H,1,4-5,13-18H2,(H,30,33)
InChIKeyHAMOHAOTXXHDHX-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.97
Rot. Bonds4

About N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55884883) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55884883
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H30ClN3O2/c29-25-19-22(11-12-26(25)31-15-4-1-5-16-31)30-27(33)21-13-17-32(18-14-21)28(34)24-10-6-8-20-7-2-3-9-23(20)24/h2-3,6-12,19,21H,1,4-5,13-18H2,(H,30,33)
InChIKeyHAMOHAOTXXHDHX-UHFFFAOYSA-N
XLogP5.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55456894
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
1-(naphthalene-1-carbonyl)-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 71895394
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1333473
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 55610513
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55884883) is N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is HAMOHAOTXXHDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c29-25-19-22(11-12-26(25)31-15-4-1-5-16-31)30-27(33)21-13-17-32(18-14-21)28(34)24-10-6-8-20-7-2-3-9-23(20)24/h2-3,6-12,19,21H,1,4-5,13-18H2,(H,30,33).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 476.02 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55884883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).