N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide

C22H36N4O2 — CID 167806992

IUPACN,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide
SMILESCN(C(=O)C(C)(C)CC(C)(C)C)C1CCCN(C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C22H36N4O2/c1-21(2,3)14-22(4,5)20(28)25(6)15-9-8-12-26(13-15)19(27)18-16-10-7-11-17(16)23-24-18/h15H,7-14H2,1-6H3,(H,23,24)
InChIKeyUCCSMAVQMHCVIL-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.42
Rot. Bonds4

About N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide

N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide (PubChem CID 167806992) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide.

Molecular Properties

Compound NameN,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide
PubChem CID167806992
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide
SMILESCN(C(=O)C(C)(C)CC(C)(C)C)C1CCCN(C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C22H36N4O2/c1-21(2,3)14-22(4,5)20(28)25(6)15-9-8-12-26(13-15)19(27)18-16-10-7-11-17(16)23-24-18/h15H,7-14H2,1-6H3,(H,23,24)
InChIKeyUCCSMAVQMHCVIL-UHFFFAOYSA-N
XLogP3.42
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide with MolForge

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72929646
4-ethyl-2-methyl-5-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95213380
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)methanone
CID 110123275
1-methyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-2-carboxylic acid
CID 56721335
N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 154773993
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 97206006

Frequently Asked Questions

What is the IUPAC name of N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide?
The IUPAC name of N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide (CID 167806992) is N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide.
What is the SMILES notation for N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide?
The canonical SMILES for N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide is CN(C(=O)C(C)(C)CC(C)(C)C)C1CCCN(C(=O)c2n[nH]c3c2CCC3)C1.
What is the InChIKey of N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide?
The InChIKey is UCCSMAVQMHCVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-21(2,3)14-22(4,5)20(28)25(6)15-9-8-12-26(13-15)19(27)18-16-10-7-11-17(16)23-24-18/h15H,7-14H2,1-6H3,(H,23,24).
What are the key properties of N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide?
N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide has a molecular weight of 388.56 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,4,4-pentamethyl-N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]pentanamide is sourced from PubChem (CID 167806992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).