methane;N-(piperidin-4-ylmethyl)acetamide

C9H20N2O — CID 161365348

IUPACmethane;N-(piperidin-4-ylmethyl)acetamide
SMILESC.CC(=O)NCC1CCNCC1
InChIInChI=1S/C8H16N2O.CH4/c1-7(11)10-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3,(H,10,11);1H4
InChIKeyVPSVZVUTECXHAL-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds2

About methane;N-(piperidin-4-ylmethyl)acetamide

methane;N-(piperidin-4-ylmethyl)acetamide (PubChem CID 161365348) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is methane;N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Namemethane;N-(piperidin-4-ylmethyl)acetamide
PubChem CID161365348
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Namemethane;N-(piperidin-4-ylmethyl)acetamide
SMILESC.CC(=O)NCC1CCNCC1
InChIInChI=1S/C8H16N2O.CH4/c1-7(11)10-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3,(H,10,11);1H4
InChIKeyVPSVZVUTECXHAL-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide
CID 102736375
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
CID 17019739
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
N-(thian-4-ylmethyl)acetamide
CID 91415666
N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450

Frequently Asked Questions

What is the IUPAC name of methane;N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of methane;N-(piperidin-4-ylmethyl)acetamide (CID 161365348) is methane;N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for methane;N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for methane;N-(piperidin-4-ylmethyl)acetamide is C.CC(=O)NCC1CCNCC1.
What is the InChIKey of methane;N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is VPSVZVUTECXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.CH4/c1-7(11)10-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3,(H,10,11);1H4.
What are the key properties of methane;N-(piperidin-4-ylmethyl)acetamide?
methane;N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 161365348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).