N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C20H35N5O — CID 45202568

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)C2CCCN(C3CCN(C)CC3)C2)n1
InChIInChI=1S/C20H35N5O/c1-16-14-17(2)25(21-16)13-12-23(4)20(26)18-6-5-9-24(15-18)19-7-10-22(3)11-8-19/h14,18-19H,5-13,15H2,1-4H3
InChIKeyPOIGTRUVWQNLHQ-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 45202568) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID45202568
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)C2CCCN(C3CCN(C)CC3)C2)n1
InChIInChI=1S/C20H35N5O/c1-16-14-17(2)25(21-16)13-12-23(4)20(26)18-6-5-9-24(15-18)19-7-10-22(3)11-8-19/h14,18-19H,5-13,15H2,1-4H3
InChIKeyPOIGTRUVWQNLHQ-UHFFFAOYSA-N
XLogP1.76
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28882866
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42593598
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97280494
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
(3R)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557690
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 56873678
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide
CID 97115774

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 45202568) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is Cc1cc(C)n(CCN(C)C(=O)C2CCCN(C3CCN(C)CC3)C2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is POIGTRUVWQNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-16-14-17(2)25(21-16)13-12-23(4)20(26)18-6-5-9-24(15-18)19-7-10-22(3)11-8-19/h14,18-19H,5-13,15H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45202568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).