1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C18H33N3O3 — CID 119287847

IUPAC1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)24-12-4-9-20-17(22)15-6-10-21(11-7-15)18(23)16-5-3-8-19-13-16/h14-16,19H,3-13H2,1-2H3,(H,20,22)
InChIKeyIGUWKTGFSMFJOL-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.16
Rot. Bonds7

About 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 119287847) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID119287847
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)24-12-4-9-20-17(22)15-6-10-21(11-7-15)18(23)16-5-3-8-19-13-16/h14-16,19H,3-13H2,1-2H3,(H,20,22)
InChIKeyIGUWKTGFSMFJOL-UHFFFAOYSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.16
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

tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119720652
1-(1-aminocyclohexanecarbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287849
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 46295214
1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 60503970
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119273576
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
2-methyl-5-(piperidine-3-carbonylamino)pentanoic acid
CID 112547799
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 119287847) is 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is IGUWKTGFSMFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(2)24-12-4-9-20-17(22)15-6-10-21(11-7-15)18(23)16-5-3-8-19-13-16/h14-16,19H,3-13H2,1-2H3,(H,20,22).
What are the key properties of 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119287847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).