N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C20H27N5O2 — CID 127774583

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C20H27N5O2/c26-20(25-11-4-3-9-18(25)16-13-23-24-14-16)22-12-15-6-5-10-21-19(15)27-17-7-1-2-8-17/h5-6,10,13-14,17-18H,1-4,7-9,11-12H2,(H,22,26)(H,23,24)
InChIKeyPIFHTDPHGPBUSF-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.56
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 127774583) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID127774583
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C20H27N5O2/c26-20(25-11-4-3-9-18(25)16-13-23-24-14-16)22-12-15-6-5-10-21-19(15)27-17-7-1-2-8-17/h5-6,10,13-14,17-18H,1-4,7-9,11-12H2,(H,22,26)(H,23,24)
InChIKeyPIFHTDPHGPBUSF-UHFFFAOYSA-N
XLogP3.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 51084353
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 55794578
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659
N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521633
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51959608
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 127774583) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(NCc1cccnc1OC1CCCC1)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is PIFHTDPHGPBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(25-11-4-3-9-18(25)16-13-23-24-14-16)22-12-15-6-5-10-21-19(15)27-17-7-1-2-8-17/h5-6,10,13-14,17-18H,1-4,7-9,11-12H2,(H,22,26)(H,23,24).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127774583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).