N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide

C17H22ClN5O — CID 172881066

IUPACN-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2ccncc2Cl)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C17H22ClN5O/c1-21-11-15(20-12-21)17(24)22(2)10-13-4-7-23(8-5-13)16-3-6-19-9-14(16)18/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3
InChIKeyGMEYSDBSHFKQSA-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.46
Rot. Bonds4

About N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide

N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (PubChem CID 172881066) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
PubChem CID172881066
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2ccncc2Cl)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C17H22ClN5O/c1-21-11-15(20-12-21)17(24)22(2)10-13-4-7-23(8-5-13)16-3-6-19-9-14(16)18/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3
InChIKeyGMEYSDBSHFKQSA-UHFFFAOYSA-N
XLogP2.46
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881063
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881174
N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881971
N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881312
N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 172881779
N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881133
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892168
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881912
N-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881954
N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881011
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172881197
N-[[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172904251

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (CID 172881066) is N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is CN(CC1CCN(c2ccncc2Cl)CC1)C(=O)c1cn(C)cn1.
What is the InChIKey of N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is GMEYSDBSHFKQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-21-11-15(20-12-21)17(24)22(2)10-13-4-7-23(8-5-13)16-3-6-19-9-14(16)18/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3.
What are the key properties of N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 172881066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).