4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

C19H29N3O2 — CID 75889826

IUPAC4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(20-10-4-8-17-6-2-1-3-7-17)22-13-11-21(12-14-22)16-18-9-5-15-24-18/h1-3,6-7,18H,4-5,8-16H2,(H,20,23)
InChIKeyKMAHJWBINUDSQX-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.13
Rot. Bonds6

About 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 75889826) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID75889826
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(20-10-4-8-17-6-2-1-3-7-17)22-13-11-21(12-14-22)16-18-9-5-15-24-18/h1-3,6-7,18H,4-5,8-16H2,(H,20,23)
InChIKeyKMAHJWBINUDSQX-UHFFFAOYSA-N
XLogP2.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 55770289
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55689796
1-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 84586067
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 51151985
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121054041
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 75889826) is 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is KMAHJWBINUDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(20-10-4-8-17-6-2-1-3-7-17)22-13-11-21(12-14-22)16-18-9-5-15-24-18/h1-3,6-7,18H,4-5,8-16H2,(H,20,23).
What are the key properties of 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 75889826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).