(2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide

C18H35N3O — CID 138753181

IUPAC(2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide
SMILESCN[C@H](C)C(=O)N(CC1CC1)CC(C)(C)C1CCN(C)CC1
InChIInChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3/t14-/m1/s1
InChIKeyCNZYFGVSPPVSBV-CQSZACIVSA-N
MW309.50 g/mol
LogP2.20
Rot. Bonds7

About (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide

(2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide (PubChem CID 138753181) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide
PubChem CID138753181
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name(2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide
SMILESCN[C@H](C)C(=O)N(CC1CC1)CC(C)(C)C1CCN(C)CC1
InChIInChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3/t14-/m1/s1
InChIKeyCNZYFGVSPPVSBV-CQSZACIVSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide?
The IUPAC name of (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide (CID 138753181) is (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide.
What is the SMILES notation for (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide?
The canonical SMILES for (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide is CN[C@H](C)C(=O)N(CC1CC1)CC(C)(C)C1CCN(C)CC1.
What is the InChIKey of (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide?
The InChIKey is CNZYFGVSPPVSBV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide?
(2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide has a molecular weight of 309.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylmethyl)-2-(methylamino)-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide is sourced from PubChem (CID 138753181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).