N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide

C16H32N4O — CID 63252510

IUPACN-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCCN1CCC(N2CCCC(C(=O)NCCN)C2)CC1
InChIInChI=1S/C16H32N4O/c1-2-9-19-11-5-15(6-12-19)20-10-3-4-14(13-20)16(21)18-8-7-17/h14-15H,2-13,17H2,1H3,(H,18,21)
InChIKeyQXASSKBNWSIMKD-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.65
Rot. Bonds6

About N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 63252510) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID63252510
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCCN1CCC(N2CCCC(C(=O)NCCN)C2)CC1
InChIInChI=1S/C16H32N4O/c1-2-9-19-11-5-15(6-12-19)20-10-3-4-14(13-20)16(21)18-8-7-17/h14-15H,2-13,17H2,1H3,(H,18,21)
InChIKeyQXASSKBNWSIMKD-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 63252377
(3S)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 30982597
N-(2-aminoethyl)-1-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
CID 63252234
N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
CID 63333083
N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide
CID 64625243
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479435
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
CID 79946528

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide (CID 63252510) is N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide is CCCN1CCC(N2CCCC(C(=O)NCCN)C2)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is QXASSKBNWSIMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-2-9-19-11-5-15(6-12-19)20-10-3-4-14(13-20)16(21)18-8-7-17/h14-15H,2-13,17H2,1H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63252510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).