(3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide

C16H25N3O — CID 53488122

IUPAC(3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide
SMILESCN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCNC1
InChIInChI=1S/C16H25N3O/c1-18(2)19(3)15(20)16(10-7-11-17-13-16)12-14-8-5-4-6-9-14/h4-6,8-9,17H,7,10-13H2,1-3H3/t16-/m1/s1
InChIKeyHUMYVCTVABDRKT-MRXNPFEDSA-N
MW275.40 g/mol
LogP1.53
Rot. Bonds4

About (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide

(3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide (PubChem CID 53488122) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide
PubChem CID53488122
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide
SMILESCN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCNC1
InChIInChI=1S/C16H25N3O/c1-18(2)19(3)15(20)16(10-7-11-17-13-16)12-14-8-5-4-6-9-14/h4-6,8-9,17H,7,10-13H2,1-3H3/t16-/m1/s1
InChIKeyHUMYVCTVABDRKT-MRXNPFEDSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(Phenylmethyl)-2-piperidinone
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5-Benzylpiperidin-2-one
CID 356415
4-Phenyl-delta-valerolactam
CID 3279694
4-Phenyl-2-piperidinone
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N-[2-(1-cyclohexen-1-yl)ethyl]-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide?
The IUPAC name of (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide (CID 53488122) is (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide?
The canonical SMILES for (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide is CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCNC1.
What is the InChIKey of (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide?
The InChIKey is HUMYVCTVABDRKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)19(3)15(20)16(10-7-11-17-13-16)12-14-8-5-4-6-9-14/h4-6,8-9,17H,7,10-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide?
(3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide has a molecular weight of 275.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide is sourced from PubChem (CID 53488122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).