(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide

C15H21N3O3 — CID 167530296

IUPAC(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccco2)CCN1C(=O)NCC1CC1
InChIInChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyICUJAPAHFNAKBW-LLVKDONJSA-N
MW291.35 g/mol
LogP1.55
Rot. Bonds3

About (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide

(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide (PubChem CID 167530296) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
PubChem CID167530296
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccco2)CCN1C(=O)NCC1CC1
InChIInChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyICUJAPAHFNAKBW-LLVKDONJSA-N
XLogP1.55
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 166326441
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
methyl 2-[1-(furan-2-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264218
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide (CID 167530296) is (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide is C[C@@H]1CN(C(=O)c2ccco2)CCN1C(=O)NCC1CC1.
What is the InChIKey of (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is ICUJAPAHFNAKBW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide?
(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 167530296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).