(2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide

C19H34N4O — CID 95625550

IUPAC(2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@H]1C(=O)N(C)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C19H34N4O/c1-5-11-23-12-7-6-8-18(23)19(24)22(4)16-15-21(3)17-9-13-20(2)14-10-17/h1,17-18H,6-16H2,2-4H3/t18-/m0/s1
InChIKeyGZMNEDWTXRSDPS-SFHVURJKSA-N
MW334.51 g/mol
LogP0.96
Rot. Bonds6

About (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide

(2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 95625550) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide
PubChem CID95625550
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name(2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@H]1C(=O)N(C)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C19H34N4O/c1-5-11-23-12-7-6-8-18(23)19(24)22(4)16-15-21(3)17-9-13-20(2)14-10-17/h1,17-18H,6-16H2,2-4H3/t18-/m0/s1
InChIKeyGZMNEDWTXRSDPS-SFHVURJKSA-N
XLogP0.96
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide (CID 95625550) is (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide is C#CCN1CCCC[C@H]1C(=O)N(C)CCN(C)C1CCN(C)CC1.
What is the InChIKey of (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is GZMNEDWTXRSDPS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H34N4O/c1-5-11-23-12-7-6-8-18(23)19(24)22(4)16-15-21(3)17-9-13-20(2)14-10-17/h1,17-18H,6-16H2,2-4H3/t18-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide?
(2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 95625550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).