(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C20H35N5O — CID 28882866

IUPAC(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)n1
InChIInChI=1S/C20H35N5O/c1-16-14-17(2)25(22-16)11-5-9-21-20(26)18-6-4-10-24(15-18)19-7-12-23(3)13-8-19/h14,18-19H,4-13,15H2,1-3H3,(H,21,26)/t18-/m1/s1
InChIKeyBTBMADQEPCSVNX-GOSISDBHSA-N
MW361.53 g/mol
LogP1.81
Rot. Bonds6

About (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 28882866) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID28882866
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)n1
InChIInChI=1S/C20H35N5O/c1-16-14-17(2)25(22-16)11-5-9-21-20(26)18-6-4-10-24(15-18)19-7-12-23(3)13-8-19/h14,18-19H,4-13,15H2,1-3H3,(H,21,26)/t18-/m1/s1
InChIKeyBTBMADQEPCSVNX-GOSISDBHSA-N
XLogP1.81
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.81
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-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25377204
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45202568
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26407076
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86999451
(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25379572
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
CID 166299989
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737976
(3S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 136858396
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 28882866) is (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)n1.
What is the InChIKey of (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is BTBMADQEPCSVNX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H35N5O/c1-16-14-17(2)25(22-16)11-5-9-21-20(26)18-6-4-10-24(15-18)19-7-12-23(3)13-8-19/h14,18-19H,4-13,15H2,1-3H3,(H,21,26)/t18-/m1/s1.
What are the key properties of (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 28882866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).