N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide

C18H27N3O — CID 108987931

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-15-9-13-20(14-10-15)17-7-5-16(6-8-17)19-18(22)21-11-3-2-4-12-21/h5-8,15H,2-4,9-14H2,1H3,(H,19,22)
InChIKeyQVOAHIKMXGAFEK-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.94
Rot. Bonds2

About N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 108987931) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID108987931
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-15-9-13-20(14-10-15)17-7-5-16(6-8-17)19-18(22)21-11-3-2-4-12-21/h5-8,15H,2-4,9-14H2,1H3,(H,19,22)
InChIKeyQVOAHIKMXGAFEK-UHFFFAOYSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 25264119
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108990903
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide (CID 108987931) is N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide is CC1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is QVOAHIKMXGAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15-9-13-20(14-10-15)17-7-5-16(6-8-17)19-18(22)21-11-3-2-4-12-21/h5-8,15H,2-4,9-14H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 108987931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).