(3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

C18H31N5O — CID 29028691

IUPAC(3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@H](C(=O)NCCc3cnn(C)c3)C2)CC1
InChIInChI=1S/C18H31N5O/c1-21-10-6-17(7-11-21)23-9-3-4-16(14-23)18(24)19-8-5-15-12-20-22(2)13-15/h12-13,16-17H,3-11,14H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyIPFXISIAFXGWKQ-INIZCTEOSA-N
MW333.48 g/mol
LogP0.88
Rot. Bonds5

About (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 29028691) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID29028691
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name(3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@H](C(=O)NCCc3cnn(C)c3)C2)CC1
InChIInChI=1S/C18H31N5O/c1-21-10-6-17(7-11-21)23-9-3-4-16(14-23)18(24)19-8-5-15-12-20-22(2)13-15/h12-13,16-17H,3-11,14H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyIPFXISIAFXGWKQ-INIZCTEOSA-N
XLogP0.88
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790909
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
(4aS*,8aR*)-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(piperidin-4-ylmethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56908199
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 75428135
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
3-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56863973

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 29028691) is (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is CN1CCC(N2CCC[C@H](C(=O)NCCc3cnn(C)c3)C2)CC1.
What is the InChIKey of (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is IPFXISIAFXGWKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21-10-6-17(7-11-21)23-9-3-4-16(14-23)18(24)19-8-5-15-12-20-22(2)13-15/h12-13,16-17H,3-11,14H2,1-2H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 29028691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).