N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C16H25N5O2 — CID 167934990

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C16H25N5O2/c1-20(2)14(22)10-21-8-6-11(7-9-21)17-16(23)15-12-4-3-5-13(12)18-19-15/h11H,3-10H2,1-2H3,(H,17,23)(H,18,19)
InChIKeyHPUOQCNXBIXJGY-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.18
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 167934990) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID167934990
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C16H25N5O2/c1-20(2)14(22)10-21-8-6-11(7-9-21)17-16(23)15-12-4-3-5-13(12)18-19-15/h11H,3-10H2,1-2H3,(H,17,23)(H,18,19)
InChIKeyHPUOQCNXBIXJGY-UHFFFAOYSA-N
XLogP0.18
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 162632727
N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 133111834
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119074036
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111422528
N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 175641935
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 135097019
N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75452688
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 167934990) is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN(C)C(=O)CN1CCC(NC(=O)c2n[nH]c3c2CCC3)CC1.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HPUOQCNXBIXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-20(2)14(22)10-21-8-6-11(7-9-21)17-16(23)15-12-4-3-5-13(12)18-19-15/h11H,3-10H2,1-2H3,(H,17,23)(H,18,19).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167934990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).