N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide

C26H39N5O — CID 53107035

IUPACN-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCCCN(CCC)CCCNC(=O)C1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1
InChIInChI=1S/C26H39N5O/c1-4-14-30(15-5-2)16-7-13-27-25(32)23-8-6-17-31(20-23)26-28-18-24(19-29-26)22-11-9-21(3)10-12-22/h9-12,18-19,23H,4-8,13-17,20H2,1-3H3,(H,27,32)
InChIKeyJEBZVRYTVWADCV-UHFFFAOYSA-N
MW437.63 g/mol
LogP4.30
Rot. Bonds11

About N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide

N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 53107035) has the molecular formula C26H39N5O and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID53107035
Molecular FormulaC26H39N5O
Molecular Weight437.63 g/mol
Exact Mass437.32
IUPAC NameN-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCCCN(CCC)CCCNC(=O)C1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1
InChIInChI=1S/C26H39N5O/c1-4-14-30(15-5-2)16-7-13-27-25(32)23-8-6-17-31(20-23)26-28-18-24(19-29-26)22-11-9-21(3)10-12-22/h9-12,18-19,23H,4-8,13-17,20H2,1-3H3,(H,27,32)
InChIKeyJEBZVRYTVWADCV-UHFFFAOYSA-N
XLogP4.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[3-(dipropylamino)propyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085750
(3R)-N-(3-methoxypropyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085563
N-[2-(azepan-1-yl)ethyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107069
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-hexylpiperidine-3-carboxamide
CID 93070695
(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085637
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 53106974
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085490
(3S)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085491
(3S)-N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 93070704
(3S)-N-(3-ethoxypropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085829

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide (CID 53107035) is N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide is CCCN(CCC)CCCNC(=O)C1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1.
What is the InChIKey of N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is JEBZVRYTVWADCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O/c1-4-14-30(15-5-2)16-7-13-27-25(32)23-8-6-17-31(20-23)26-28-18-24(19-29-26)22-11-9-21(3)10-12-22/h9-12,18-19,23H,4-8,13-17,20H2,1-3H3,(H,27,32).
What are the key properties of N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 437.63 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53107035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).