N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide

C12H25N3O — CID 79156152

IUPACN-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)N(CCCN)C(=O)N1CCCCC1
InChIInChI=1S/C12H25N3O/c1-11(2)15(10-6-7-13)12(16)14-8-4-3-5-9-14/h11H,3-10,13H2,1-2H3
InChIKeyUGQHXFCNESPQLC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds4

About N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide

N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 79156152) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID79156152
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)N(CCCN)C(=O)N1CCCCC1
InChIInChI=1S/C12H25N3O/c1-11(2)15(10-6-7-13)12(16)14-8-4-3-5-9-14/h11H,3-10,13H2,1-2H3
InChIKeyUGQHXFCNESPQLC-UHFFFAOYSA-N
XLogP1.65
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155482
N-(2-aminoethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 79155314
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylazepane-1-carboxamide
CID 79152199
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide (CID 79156152) is N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide is CC(C)N(CCCN)C(=O)N1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is UGQHXFCNESPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2)15(10-6-7-13)12(16)14-8-4-3-5-9-14/h11H,3-10,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 79156152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).