4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide

C15H22N4O2 — CID 91661392

IUPAC4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide
SMILESO=C(NOCc1cccnc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(17-21-12-14-2-1-5-16-10-14)19-8-6-18(7-9-19)11-13-3-4-13/h1-2,5,10,13H,3-4,6-9,11-12H2,(H,17,20)
InChIKeyUSPBNPOHJDYUMU-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.25
Rot. Bonds5

About 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide

4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide (PubChem CID 91661392) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide
PubChem CID91661392
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide
SMILESO=C(NOCc1cccnc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(17-21-12-14-2-1-5-16-10-14)19-8-6-18(7-9-19)11-13-3-4-13/h1-2,5,10,13H,3-4,6-9,11-12H2,(H,17,20)
InChIKeyUSPBNPOHJDYUMU-UHFFFAOYSA-N
XLogP1.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86816169
pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781175
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125447753
ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate
CID 26394539
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide
CID 154866666

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide (CID 91661392) is 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide is O=C(NOCc1cccnc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide?
The InChIKey is USPBNPOHJDYUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(17-21-12-14-2-1-5-16-10-14)19-8-6-18(7-9-19)11-13-3-4-13/h1-2,5,10,13H,3-4,6-9,11-12H2,(H,17,20).
What are the key properties of 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide?
4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide is sourced from PubChem (CID 91661392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).