1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide

C19H31N3O2 — CID 164639674

IUPAC1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide
SMILESC[C@H]1CN(C(=O)C2(C(=O)NC3CC3)CCC2)CCN1C1CCCC1
InChIInChI=1S/C19H31N3O2/c1-14-13-21(11-12-22(14)16-5-2-3-6-16)18(24)19(9-4-10-19)17(23)20-15-7-8-15/h14-16H,2-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyXBISCUSABGNUQG-AWEZNQCLSA-N
MW333.48 g/mol
LogP1.91
Rot. Bonds4

About 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide

1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide (PubChem CID 164639674) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide
PubChem CID164639674
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide
SMILESC[C@H]1CN(C(=O)C2(C(=O)NC3CC3)CCC2)CCN1C1CCCC1
InChIInChI=1S/C19H31N3O2/c1-14-13-21(11-12-22(14)16-5-2-3-6-16)18(24)19(9-4-10-19)17(23)20-15-7-8-15/h14-16H,2-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyXBISCUSABGNUQG-AWEZNQCLSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide?
The IUPAC name of 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide (CID 164639674) is 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide is C[C@H]1CN(C(=O)C2(C(=O)NC3CC3)CCC2)CCN1C1CCCC1.
What is the InChIKey of 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide?
The InChIKey is XBISCUSABGNUQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14-13-21(11-12-22(14)16-5-2-3-6-16)18(24)19(9-4-10-19)17(23)20-15-7-8-15/h14-16H,2-13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide?
1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-N-cyclopropylcyclobutane-1-carboxamide is sourced from PubChem (CID 164639674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).