(3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C20H33N5O2 — CID 72896570

IUPAC(3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)c1C
InChIInChI=1S/C20H33N5O2/c1-4-25-15(3)18(14(2)23-25)7-8-22-19(26)16-11-17(13-21-12-16)20(27)24-9-5-6-10-24/h16-17,21H,4-13H2,1-3H3,(H,22,26)/t16-,17-/m1/s1
InChIKeyBUJJGXOACQBIDS-IAGOWNOFSA-N
MW375.52 g/mol
LogP1.03
Rot. Bonds6

About (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 72896570) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID72896570
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)c1C
InChIInChI=1S/C20H33N5O2/c1-4-25-15(3)18(14(2)23-25)7-8-22-19(26)16-11-17(13-21-12-16)20(27)24-9-5-6-10-24/h16-17,21H,4-13H2,1-3H3,(H,22,26)/t16-,17-/m1/s1
InChIKeyBUJJGXOACQBIDS-IAGOWNOFSA-N
XLogP1.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793140
1-cycloheptyl-N-isopropyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24793825
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817602
N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-[[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45885391
N,N-diethyl-1-{2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperidine-3-carboxamide
CID 50976449
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51097118
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70749819
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 72896570) is (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)c1C.
What is the InChIKey of (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is BUJJGXOACQBIDS-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-4-25-15(3)18(14(2)23-25)7-8-22-19(26)16-11-17(13-21-12-16)20(27)24-9-5-6-10-24/h16-17,21H,4-13H2,1-3H3,(H,22,26)/t16-,17-/m1/s1.
What are the key properties of (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72896570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).