N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride

C16H32ClN3O — CID 119930290

IUPACN-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-2-3-8-18-16(20)15-6-11-19(12-7-15)13-14-4-9-17-10-5-14;/h14-15,17H,2-13H2,1H3,(H,18,20);1H
InChIKeySSHVDSIVNGPTRG-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.04
Rot. Bonds6

About N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride

N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119930290) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119930290
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC NameN-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-2-3-8-18-16(20)15-6-11-19(12-7-15)13-14-4-9-17-10-5-14;/h14-15,17H,2-13H2,1H3,(H,18,20);1H
InChIKeySSHVDSIVNGPTRG-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119930228
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 54039617
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 119930290) is N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride is CCCCNC(=O)C1CCN(CC2CCNCC2)CC1.Cl.
What is the InChIKey of N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SSHVDSIVNGPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-2-3-8-18-16(20)15-6-11-19(12-7-15)13-14-4-9-17-10-5-14;/h14-15,17H,2-13H2,1H3,(H,18,20);1H.
What are the key properties of N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119930290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).