N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide

C20H25N5O2 — CID 74251036

IUPACN-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C20H25N5O2/c26-20(25-12-10-24(11-13-25)17-7-9-22-14-17)23-16-3-5-18(6-4-16)27-19-2-1-8-21-15-19/h1-6,8,15,17,22H,7,9-14H2,(H,23,26)
InChIKeyILNSJXAWWRZPJH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.39
Rot. Bonds4

About N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide

N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide (PubChem CID 74251036) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
PubChem CID74251036
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C20H25N5O2/c26-20(25-12-10-24(11-13-25)17-7-9-22-14-17)23-16-3-5-18(6-4-16)27-19-2-1-8-21-15-19/h1-6,8,15,17,22H,7,9-14H2,(H,23,26)
InChIKeyILNSJXAWWRZPJH-UHFFFAOYSA-N
XLogP2.39
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
CID 97434495
1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 42533025
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903512
(4aS,8aS)-4a-hydroxy-N-(4-pyridin-3-yloxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 91835309
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid
CID 139782807
N-(3-cyano-4-methylphenyl)-4-[(3S)-pyrrolidin-3-yl]piperazine-1-carboxamide
CID 125168730
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
CID 67762871
N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903511
ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate
CID 57309222

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide (CID 74251036) is N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN(C2CCNC2)CC1.
What is the InChIKey of N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide?
The InChIKey is ILNSJXAWWRZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20(25-12-10-24(11-13-25)17-7-9-22-14-17)23-16-3-5-18(6-4-16)27-19-2-1-8-21-15-19/h1-6,8,15,17,22H,7,9-14H2,(H,23,26).
What are the key properties of N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide?
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 74251036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).