N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

C22H36N4O — CID 56876392

IUPACN-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESNCCCNC(=O)C1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H36N4O/c23-12-5-13-24-22(27)20-8-4-14-26(18-20)21-10-16-25(17-11-21)15-9-19-6-2-1-3-7-19/h1-3,6-7,20-21H,4-5,8-18,23H2,(H,24,27)
InChIKeyRTYSOTAZUVGGMR-UHFFFAOYSA-N
MW372.56 g/mol
LogP1.87
Rot. Bonds8

About N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56876392) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56876392
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC NameN-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESNCCCNC(=O)C1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H36N4O/c23-12-5-13-24-22(27)20-8-4-14-26(18-20)21-10-16-25(17-11-21)15-9-19-6-2-1-3-7-19/h1-3,6-7,20-21H,4-5,8-18,23H2,(H,24,27)
InChIKeyRTYSOTAZUVGGMR-UHFFFAOYSA-N
XLogP1.87
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95402897
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
(3R)-N-(4-aminocyclohexyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 98260152
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95554118
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56876392) is N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is NCCCNC(=O)C1CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is RTYSOTAZUVGGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c23-12-5-13-24-22(27)20-8-4-14-26(18-20)21-10-16-25(17-11-21)15-9-19-6-2-1-3-7-19/h1-3,6-7,20-21H,4-5,8-18,23H2,(H,24,27).
What are the key properties of N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56876392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).