1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide

C15H22FN5O2 — CID 118767012

IUPAC1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCNC(=O)Nc2cncc(F)c2)C1
InChIInChI=1S/C15H22FN5O2/c16-12-7-13(9-18-8-12)20-15(23)19-4-2-6-21-5-1-3-11(10-21)14(17)22/h7-9,11H,1-6,10H2,(H2,17,22)(H2,19,20,23)
InChIKeyMJCPOTMOWPDLMI-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.93
Rot. Bonds6

About 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide

1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide (PubChem CID 118767012) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
PubChem CID118767012
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCNC(=O)Nc2cncc(F)c2)C1
InChIInChI=1S/C15H22FN5O2/c16-12-7-13(9-18-8-12)20-15(23)19-4-2-6-21-5-1-3-11(10-21)14(17)22/h7-9,11H,1-6,10H2,(H2,17,22)(H2,19,20,23)
InChIKeyMJCPOTMOWPDLMI-UHFFFAOYSA-N
XLogP0.93
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
CID 52516463
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
CID 134697105
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 97438336
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125173766
1-[3-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111394996
(3S)-1-[2-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125438522
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide (CID 118767012) is 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCCNC(=O)Nc2cncc(F)c2)C1.
What is the InChIKey of 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide?
The InChIKey is MJCPOTMOWPDLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O2/c16-12-7-13(9-18-8-12)20-15(23)19-4-2-6-21-5-1-3-11(10-21)14(17)22/h7-9,11H,1-6,10H2,(H2,17,22)(H2,19,20,23).
What are the key properties of 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide?
1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 118767012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).