N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide

C18H35N3O — CID 92731421

IUPACN-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
SMILESCC[C@H](C)NC(=O)N1CCC(CN2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C18H35N3O/c1-5-16(4)19-18(22)21-8-6-17(7-9-21)13-20-11-14(2)10-15(3)12-20/h14-17H,5-13H2,1-4H3,(H,19,22)/t14-,15+,16-/m0/s1
InChIKeyMFPSSODEZJRVRA-XHSDSOJGSA-N
MW309.50 g/mol
LogP3.18
Rot. Bonds4

About N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide

N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 92731421) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID92731421
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC NameN-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
SMILESCC[C@H](C)NC(=O)N1CCC(CN2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C18H35N3O/c1-5-16(4)19-18(22)21-8-6-17(7-9-21)13-20-11-14(2)10-15(3)12-20/h14-17H,5-13H2,1-4H3,(H,19,22)/t14-,15+,16-/m0/s1
InChIKeyMFPSSODEZJRVRA-XHSDSOJGSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide (CID 92731421) is N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide is CC[C@H](C)NC(=O)N1CCC(CN2C[C@H](C)C[C@H](C)C2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is MFPSSODEZJRVRA-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H35N3O/c1-5-16(4)19-18(22)21-8-6-17(7-9-21)13-20-11-14(2)10-15(3)12-20/h14-17H,5-13H2,1-4H3,(H,19,22)/t14-,15+,16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 309.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 92731421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).