N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide

C16H31N5O2 — CID 139421558

IUPACN-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide
SMILESCNC(=O)CN1CCN(CC2CCN(C(=O)NC)CC2)[C@@H](C)C1
InChIInChI=1S/C16H31N5O2/c1-13-10-19(12-15(22)17-2)8-9-21(13)11-14-4-6-20(7-5-14)16(23)18-3/h13-14H,4-12H2,1-3H3,(H,17,22)(H,18,23)/t13-/m0/s1
InChIKeyRUIAYGVWUBVRCN-ZDUSSCGKSA-N
MW325.46 g/mol
LogP-0.21
Rot. Bonds4

About N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide

N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 139421558) has the molecular formula C16H31N5O2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID139421558
Molecular FormulaC16H31N5O2
Molecular Weight325.46 g/mol
Exact Mass325.25
IUPAC NameN-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide
SMILESCNC(=O)CN1CCN(CC2CCN(C(=O)NC)CC2)[C@@H](C)C1
InChIInChI=1S/C16H31N5O2/c1-13-10-19(12-15(22)17-2)8-9-21(13)11-14-4-6-20(7-5-14)16(23)18-3/h13-14H,4-12H2,1-3H3,(H,17,22)(H,18,23)/t13-/m0/s1
InChIKeyRUIAYGVWUBVRCN-ZDUSSCGKSA-N
XLogP-0.21
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide (CID 139421558) is N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide is CNC(=O)CN1CCN(CC2CCN(C(=O)NC)CC2)[C@@H](C)C1.
What is the InChIKey of N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is RUIAYGVWUBVRCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H31N5O2/c1-13-10-19(12-15(22)17-2)8-9-21(13)11-14-4-6-20(7-5-14)16(23)18-3/h13-14H,4-12H2,1-3H3,(H,17,22)(H,18,23)/t13-/m0/s1.
What are the key properties of N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide?
N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 325.46 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 139421558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).