N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide

C16H26N2O2 — CID 47043971

IUPACN-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide
SMILESCC/C=C(/C)C(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C16H26N2O2/c1-3-5-12(2)16(20)18-9-4-6-14(11-18)15(19)17-10-13-7-8-13/h5,13-14H,3-4,6-11H2,1-2H3,(H,17,19)/b12-5-
InChIKeyDPSVKNPKMDUIKG-XGICHPGQSA-N
MW278.40 g/mol
LogP2.11
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide (PubChem CID 47043971) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide
PubChem CID47043971
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide
SMILESCC/C=C(/C)C(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C16H26N2O2/c1-3-5-12(2)16(20)18-9-4-6-14(11-18)15(19)17-10-13-7-8-13/h5,13-14H,3-4,6-11H2,1-2H3,(H,17,19)/b12-5-
InChIKeyDPSVKNPKMDUIKG-XGICHPGQSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide (CID 47043971) is N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide is CC/C=C(/C)C(=O)N1CCCC(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide?
The InChIKey is DPSVKNPKMDUIKG-XGICHPGQSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-12(2)16(20)18-9-4-6-14(11-18)15(19)17-10-13-7-8-13/h5,13-14H,3-4,6-11H2,1-2H3,(H,17,19)/b12-5-.
What are the key properties of N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide is sourced from PubChem (CID 47043971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).