N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide

C23H39N5O2 — CID 164630818

IUPACN-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCCn1cc(C(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)c(C)n1
InChIInChI=1S/C23H39N5O2/c1-5-27-17-21(19(4)24-27)23(30)26-14-8-10-20(16-26)28(22(29)18(2)3)15-9-13-25-11-6-7-12-25/h17-18,20H,5-16H2,1-4H3/t20-/m0/s1
InChIKeyRNTLUFRPHUIFLG-FQEVSTJZSA-N
MW417.60 g/mol
LogP2.79
Rot. Bonds8

About N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide

N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 164630818) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID164630818
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC NameN-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCCn1cc(C(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)c(C)n1
InChIInChI=1S/C23H39N5O2/c1-5-27-17-21(19(4)24-27)23(30)26-14-8-10-20(16-26)28(22(29)18(2)3)15-9-13-25-11-6-7-12-25/h17-18,20H,5-16H2,1-4H3/t20-/m0/s1
InChIKeyRNTLUFRPHUIFLG-FQEVSTJZSA-N
XLogP2.79
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butyl-1H-1,2,3-triazol-1-yl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]piperidine
CID 46986417
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53617276
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 72861313
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 164630818) is N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide is CCn1cc(C(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)c(C)n1.
What is the InChIKey of N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is RNTLUFRPHUIFLG-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-5-27-17-21(19(4)24-27)23(30)26-14-8-10-20(16-26)28(22(29)18(2)3)15-9-13-25-11-6-7-12-25/h17-18,20H,5-16H2,1-4H3/t20-/m0/s1.
What are the key properties of N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 417.60 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 164630818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).